[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-keto-2-ureido-ethyl) ester Formula: C15H15ClN4O4 MolecularWeight: 350.757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC(=O)N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C15H15ClN4O4/c1-9-12(14(22)24-8-11(21)18-15(17)23)13(16)20(19-9)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H3,17,18,21,23)